Model name: model_name=EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.662545010447502
cohesive_energy=13.753385086681691
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-6.881380686562679e-27, 1.305272475423558e-18, 1.431131460907428e-18, 1.6149139382402997e-18, 1.77040518057e-18, 1.88178850016568e-18, 1.95888523979376e-18, 2.01355150654584e-18, 2.0540545318533598e-18, 2.0853290197490396e-18, 2.11017877934238e-18, 2.1301739437347e-18, 2.1463238842054197e-18, 2.1593656020061798e-18, 2.16987588072522e-18, 2.17830332982006e-18, 2.18506451521554e-18, 2.1904478287057797e-18, 2.19469359678588e-18, 2.19796203711924e-18, 2.20039734560292e-18, 2.20206360930228e-18, 2.2030409370490197e-18, 2.20336137237582e-18, 2.2030249152826796e-18, 2.20190339163888e-18, 2.19988464908004e-18, 2.19685653524178e-18, 2.19270689775972e-18, 2.1873876713348397e-18, 2.1809308994998198e-18, 2.17340066932002e-18, 2.16489311139348e-18, 2.1554562910192198e-18, 2.1450261211318798e-18, 2.133298188171e-18, 2.11977581738004e-18, 2.1038021163390598e-18, 2.08222079707908e-18, 2.0432558613402e-18, 1.97944116600798e-18, 1.88153215190424e-18, 1.73677549302234e-18, 1.5278660795384458e-18, 1.233073589765616e-18, 8.242814259537839e-19, 2.5166990566872e-19, -5.841600094629359e-19, -1.84694115837618e-18, -3.7607892129882e-18, -6.66015213693996e-18, -1.11832730141517e-17, -1.85671443584358e-17, -3.17593065451284e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.06328589946341281
Energy: 0.5720302323099404
Energy: 1.3457135821183805
Energy: 1.3403865813091147
Energy: 0.9431658294220889
Energy: -0.2300500942924183
Energy: -0.10633489983024814
Energy: -0.569397219703873
Energy: -0.07473525961701018
Energy: 0.4475398436582762
Energy: 0.7293878408045644
Energy: -0.15872275269827396
Energy: -0.1376300627312194
Energy: -0.4815149723925503
Energy: 0.0653743025527038
Energy: -0.07238918951875695
Energy: 0.4869915765606813
Energy: 0.7022632516117173
Energy: -0.16002899659375344
Energy: -0.5133157391910269
Energy: -0.4737467508018094
Energy: 0.06815194024071915
Energy: -0.061513479244160445
Energy: 0.4459862944096068
Energy: 0.22371888850154154
Energy: 0.6066626178905673
Energy: -0.2684721464762148
Energy: -0.2848452585636811
Energy: -0.5634177339636923
Energy: -0.08015748091546929
Energy: 0.4535953878309508
Energy: 0.7670243138009681
Energy: -0.09158756271926818
Energy: -0.10300699250762095
Energy: -0.511488054314915
Energy: 0.06491117682990966
Energy: -0.07475489597860288
Energy: 0.39137819562793996
Energy: 0.7257752193611252
Energy: -0.08732995319677131
Energy: -0.5154292546075342
Energy: -0.48039193211813525

minimum gb energy = -0.569397219703873 eV
minimum distance =  2.4265817533429 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

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Energy: -3.0565223330663294

minimum gb energy = -3.874268802159697 eV
minimum distance =  2.20006710964207 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

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minimum gb energy = -4.342263233226148 eV
minimum distance =  2.21526489364217 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

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minimum gb energy = -1.6403354137108104 eV
minimum distance =  2.20502017352809 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

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Energy: 0.848591118789113
Energy: 0.7721929633704662
Energy: 0.7264285421535387
Energy: 0.4504797520305977
Energy: -1.4346231711466397
Energy: 0.8323453707717124
Energy: 0.916803364009841

minimum gb energy = -2.0179764240811426 eV
minimum distance =  2.26145461637946 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

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Energy: -0.8368973746984821

minimum gb energy = -1.9746117891427442 eV
minimum distance =  2.21930334760384 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

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minimum gb energy = -5.722945844670023 eV
minimum distance =  2.19565957832677 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

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Energy: -1.1085268386387712
Energy: -1.2596420319442214
Energy: -1.1156016727970044
Energy: -1.0254620499095455
Energy: -0.5801636020655854
Energy: -0.8359386025235714
Energy: -1.3265766669154968
Energy: -1.3596555398850767
Energy: -1.3564147940769171
Energy: -1.337696513154936
Energy: -1.9554154135116963
Energy: -1.6328069461112011
Energy: -1.1723198265519086
Energy: -1.36190321170487
Energy: -0.6004464531878293
Energy: -1.013533956953767
Energy: -1.039469112601256
Energy: -0.8649798257066104
Energy: -0.672456699954366
Energy: -0.9302849111502716
Energy: -1.3338554451449636
Energy: -1.1390276081697113
Energy: -1.3608860205006528
Energy: -1.3592164976867902
Energy: -0.5670650662444082
Energy: -0.6683579722066981
Energy: -0.9057211447854264
Energy: -1.3389890400122604
Energy: -1.8237746800919326
Energy: -1.7373671385913716
Energy: -1.3603340274336566
Energy: -1.7615173633027896
Energy: -1.6977957393351153
Energy: -1.1557036932056708
Energy: -1.0191406268483605
Energy: -1.031328044114706
Energy: -0.9339698268465395
Energy: -1.1328387807301459
Energy: -0.8984095836610994
Energy: -1.2803983117673616
Energy: -0.9242408293533048
Energy: -1.3299295982240031
Energy: -1.3610703579981263
Energy: -1.3555724164621552
Energy: -1.3422954793847741
Energy: -1.5363618011653104
Energy: -1.0798745863471295
Energy: -1.111632014704423
Energy: -1.034236844203804
Energy: -1.2378134431071273
Energy: -1.1440071177673232
Energy: -1.03399856652045
Energy: -0.6872942538742562

minimum gb energy = -1.9554154135116963 eV
minimum distance =  2.34048676977401 Angstroms
sigma value = 23